Chemical Properties of Phthalic acid, 4-methylpent-2-yl propyl ester

InChI

InChI=1S/C17H24O4/c1-5-10-20-16(18)14-8-6-7-9-15(14)17(19)21-13(4)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3

InChI Key

LSKWGRRUHBWSLX-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCCOC(=O)c1ccccc1C(=O)OC(C)CC(C)C

Molecular Weight¹

292.37

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.46; 792.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.52830e+01
Coefficient B			1.38268e+00
Coefficient C			-6.82360e-04
Coefficient D			7.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.46	J/mol×K	273.00	Calculated Property
Cp,gas	422.43	J/mol×K	353.78	Calculated Property
Cp,gas	493.56	J/mol×K	434.56	Calculated Property
Cp,gas	557.08	J/mol×K	515.33	Calculated Property
Cp,gas	613.24	J/mol×K	596.11	Calculated Property
Cp,gas	662.29	J/mol×K	676.89	Calculated Property
Cp,gas	704.45	J/mol×K	757.67	Calculated Property
Cp,gas	739.98	J/mol×K	838.44	Calculated Property
Cp,gas	769.12	J/mol×K	919.22	Calculated Property
Cp,gas	792.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020114; 0.0000869]	Pa×s	[374.95; 656.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.35390e+01
Coefficient B			2.74840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			374.95
Temperature range, max.			656.31
η	0.0020114	Pa×s	374.95	Calculated Property
η	0.0011442	Pa×s	406.21	Calculated Property
η	0.0007056	Pa×s	437.47	Calculated Property
η	0.0004640	Pa×s	468.74	Calculated Property
η	0.0003216	Pa×s	500.00	Calculated Property
η	0.0002327	Pa×s	531.26	Calculated Property
η	0.0001746	Pa×s	562.52	Calculated Property
η	0.0001350	Pa×s	593.78	Calculated Property
η	0.0001071	Pa×s	625.04	Calculated Property
η	0.0000869	Pa×s	656.31	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-methylpent-2-yl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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